N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide

C47H95NO4 — CID 138266188

IUPACN-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C47H95NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-45(50)44(43-49)48-47(52)46(51)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h44-46,49-51H,3-43H2,1-2H3,(H,48,52)
InChIKeySYFBLYLGEJZHME-UHFFFAOYSA-N
MW738.28 g/mol
LogP13.83
Rot. Bonds44

About N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide

N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide (PubChem CID 138266188) has the molecular formula C47H95NO4 and a molecular weight of 738.28 g/mol. Its IUPAC name is N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide
PubChem CID138266188
Molecular FormulaC47H95NO4
Molecular Weight738.28 g/mol
Exact Mass737.73
IUPAC NameN-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C47H95NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-45(50)44(43-49)48-47(52)46(51)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h44-46,49-51H,3-43H2,1-2H3,(H,48,52)
InChIKeySYFBLYLGEJZHME-UHFFFAOYSA-N
XLogP13.83
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.28
LogP ≤ 513.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyicosanamide
CID 138190449
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxynonadecanamide
CID 138124268
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxyoctatriacontanamide
CID 138236672
N-(1,3-dihydroxypentacosan-2-yl)-2-hydroxynonadecanamide
CID 138295234
N-(1,3-dihydroxyhexadecan-2-yl)-2-hydroxytetradecanamide
CID 138167755
N-(1,3-dihydroxyoctacosan-2-yl)-2-hydroxyheptacosanamide
CID 138189483
N-(1,3-dihydroxyheptacosan-2-yl)-2-hydroxydotetracontanamide
CID 138251603
N-(1,3-dihydroxyhexacosan-2-yl)-2-hydroxynonacosanamide
CID 138191913
N-(1,3-dihydroxyhenicosan-2-yl)-2-hydroxyhexadecanamide
CID 138238433
N-(1,3-dihydroxypentadecan-2-yl)-2-hydroxydocosanamide
CID 138312003
N-(1,3-dihydroxytetradecan-2-yl)-2-hydroxynonacosanamide
CID 138246713
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxydotetracontanamide
CID 138179664

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide?
The IUPAC name of N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide (CID 138266188) is N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide.
What is the SMILES notation for N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide?
The canonical SMILES for N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide is CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC.
What is the InChIKey of N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide?
The InChIKey is SYFBLYLGEJZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H95NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-45(50)44(43-49)48-47(52)46(51)42-40-38-36-34-32-29-16-14-12-10-8-6-4-2/h44-46,49-51H,3-43H2,1-2H3,(H,48,52).
What are the key properties of N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide?
N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide has a molecular weight of 738.28 g/mol, XLogP of 13.83, 44 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxytriacontan-2-yl)-2-hydroxyheptadecanamide is sourced from PubChem (CID 138266188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).